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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50346860'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50346860
PNG
(CHEMBL1797185)
Show SMILES COC(=O)C1C[C@]23CCO[C@H]2[C@@]2(C[C@@H]4C[C@]56CC(=O)O[C@H]5CCN5CC[C@]7([C@H]4N(C2)c2c7cccc2OC)[C@H]65)CN2CC[C@@]4([C@H]32)C1=Nc1ccccc41 |r,t:56|
Show InChI InChI=1S/C43H48N4O6/c1-50-29-9-5-7-27-32(29)47-23-39(18-24-19-41-21-31(48)53-30(41)10-14-45-15-12-43(27,34(24)47)37(41)45)22-46-16-11-42-26-6-3-4-8-28(26)44-33(42)25(35(49)51-2)20-40(36(42)46)13-17-52-38(39)40/h3-9,24-25,30,34,36-38H,10-23H2,1-2H3/t24-,25?,30+,34+,36+,37+,38+,39+,40+,41+,42+,43+/m1/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 9.10E+4n/an/an/an/an/an/a



University of Santo Tomas

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by colorimetric Ellman's assay

Eur J Med Chem 46: 3118-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.04.025
BindingDB Entry DOI: 10.7270/Q27P8ZR5
More data for this
Ligand-Target Pair